ethyl 2-[[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-oxo-2-(4-pyridylmethylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1,2-dioxo-2-(pyridin-4-ylmethylamino)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-keto-2-(4-pyridylmethylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C19H21N3O4S/c1-2-26-19(25)15-13-5-3-4-6-14(13)27-18(15)22-17(24)16(23)21-11-12-7-9-20-10-8-12/h7-10H,2-6,11H2,1H3,(H,21,23)(H,22,24)